2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]phenol

C14H13ClO2 — CID 102355064

IUPAC2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]phenol
SMILESOc1ccccc1C[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClO2/c15-12-7-5-10(6-8-12)14(17)9-11-3-1-2-4-13(11)16/h1-8,14,16-17H,9H2/t14-/m1/s1
InChIKeyPEWGJIGJOUAWCP-CQSZACIVSA-N
MW248.71 g/mol
LogP3.32
Rot. Bonds3

About 2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]phenol

2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]phenol (PubChem CID 102355064) has the molecular formula C14H13ClO2 and a molecular weight of 248.71 g/mol. Its IUPAC name is 2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]phenol.

Molecular Properties

Compound Name2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]phenol
PubChem CID102355064
Molecular FormulaC14H13ClO2
Molecular Weight248.71 g/mol
Exact Mass248.06
IUPAC Name2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]phenol
SMILESOc1ccccc1C[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClO2/c15-12-7-5-10(6-8-12)14(17)9-11-3-1-2-4-13(11)16/h1-8,14,16-17H,9H2/t14-/m1/s1
InChIKeyPEWGJIGJOUAWCP-CQSZACIVSA-N
XLogP3.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-phenylethanol
CID 10966396
2-(2-chloro-3-fluorophenyl)-1-(4-chlorophenyl)ethanol
CID 112652994
1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 65316618
2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 28645228
2-(4-chlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 60797871
2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60798981
2-(hydroxymethyl)-3-(2-hydroxy-2-phenylethyl)phenol
CID 12747140
(1R)-1-(4-chlorophenyl)-2-[1-(2-chlorophenyl)propan-2-ylamino]ethanol
CID 70002682
CID 89213423
CID 89213423
1-(3-chloro-5-fluorophenyl)-2-(2-fluorophenyl)ethanol
CID 114454010
2-(2,5-dichlorophenyl)-1-naphthalen-2-ylethanol
CID 65317190
2-(2,5-dichlorophenyl)-1-(4-methylphenyl)ethanol
CID 65316953

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]phenol?
The IUPAC name of 2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]phenol (CID 102355064) is 2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]phenol.
What is the SMILES notation for 2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]phenol?
The canonical SMILES for 2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]phenol is Oc1ccccc1C[C@@H](O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]phenol?
The InChIKey is PEWGJIGJOUAWCP-CQSZACIVSA-N. The full InChI is InChI=1S/C14H13ClO2/c15-12-7-5-10(6-8-12)14(17)9-11-3-1-2-4-13(11)16/h1-8,14,16-17H,9H2/t14-/m1/s1.
What are the key properties of 2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]phenol?
2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]phenol has a molecular weight of 248.71 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]phenol is sourced from PubChem (CID 102355064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).